Structure of PDB 4xmp Chain G Binding Site BS01

Receptor Information
>4xmp Chain G (length=337) Species: 11676 (Human immunodeficiency virus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
WKEAETTLFCASDAKAYETEKHNVWATHACVPTDPNPQEIHLENVTEEFN
MWKNNMVEQMHTDIISLWDQSLKPCVKLTGGSAITQACPKVTFEPIPIHY
CAPAGFAILKCKDEEFNGIGPCKNVSTVQCTHGIKPVVSTQLLLNGSLAE
KEVKIRCENITNNAKTIIVQLVNPVKINCTRPNDIRQAHCNVNRTEWNNT
LHQVVEQLRKHFNKTINFANSTGGDLEITTHSFNCGGEFFYCNTTNLFNS
TWNHTADTIILPCRIKQIINMWQRVGQAMYAPPIRGVIRCESNITGLILT
RDGGNTNSTRETFRPGGGDMRDNWRSELYKYKVVKIE
Ligand information
Ligand IDBU3
InChIInChI=1S/C4H10O2/c1-3(5)4(2)6/h3-6H,1-2H3/t3-,4-/m1/s1
InChIKeyOWBTYPJTUOEWEK-QWWZWVQMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C[C@H]([C@@H](C)O)O
CACTVS 3.341C[C@@H](O)[C@@H](C)O
ACDLabs 10.04OC(C)C(O)C
OpenEye OEToolkits 1.5.0CC(C(C)O)O
CACTVS 3.341C[CH](O)[CH](C)O
FormulaC4 H10 O2
Name(R,R)-2,3-BUTANEDIOL
ChEMBL
DrugBank
ZINCZINC000000901616
PDB chain4xmp Chain G Residue 512 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4xmp Maturation and Diversity of the VRC01-Antibody Lineage over 15 Years of Chronic HIV-1 Infection.
Resolution1.7831 Å
Binding residue
(original residue number in PDB)		E370 S375
Binding residue
(residue number reindexed from 1)		E227 S232
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology

View graph for
Cellular Component
External links
PDB RCSB:4xmp, PDBe:4xmp, PDBj:4xmp
PDBsum4xmp
PubMed25865483
UniProtQ8JDI3

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